cyclopropylmethyl 2-amino-4-hydroxybutanoate

C8H15NO3 — CID 61243530

IUPACcyclopropylmethyl 2-amino-4-hydroxybutanoate
SMILESNC(CCO)C(=O)OCC1CC1
InChIInChI=1S/C8H15NO3/c9-7(3-4-10)8(11)12-5-6-1-2-6/h6-7,10H,1-5,9H2
InChIKeyNQZMKHQEEMOGFT-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.35
Rot. Bonds5

About cyclopropylmethyl 2-amino-4-hydroxybutanoate

cyclopropylmethyl 2-amino-4-hydroxybutanoate (PubChem CID 61243530) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is cyclopropylmethyl 2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-amino-4-hydroxybutanoate
PubChem CID61243530
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namecyclopropylmethyl 2-amino-4-hydroxybutanoate
SMILESNC(CCO)C(=O)OCC1CC1
InChIInChI=1S/C8H15NO3/c9-7(3-4-10)8(11)12-5-6-1-2-6/h6-7,10H,1-5,9H2
InChIKeyNQZMKHQEEMOGFT-UHFFFAOYSA-N
XLogP-0.35
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

oxan-4-ylmethyl (2S)-2-amino-4-hydroxybutanoate
CID 107825386
cyclopropylmethyl (2R)-2-amino-3-hydroxypropanoate
CID 12993308
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
cyclopropylmethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909688
cyclopentylmethyl (2S)-2-aminopentanoate
CID 107565785
cyclohexylmethyl (2R)-2-aminopentanoate
CID 107565760
cyclopentylmethyl (2S)-2-amino-4-methylsulfanylbutanoate
CID 66322213
cyclopentylmethyl 2-aminobutanoate
CID 66322645
oxan-4-ylmethyl (2S)-2-amino-3-sulfanylpropanoate
CID 107774168
cyclopropylmethyl 2-sulfanylpropanoate
CID 107018198
bis(cyclopentylmethyl) 2-methylpropanedioate
CID 174545990
2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
CID 107825334

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-amino-4-hydroxybutanoate?
The IUPAC name of cyclopropylmethyl 2-amino-4-hydroxybutanoate (CID 61243530) is cyclopropylmethyl 2-amino-4-hydroxybutanoate.
What is the SMILES notation for cyclopropylmethyl 2-amino-4-hydroxybutanoate?
The canonical SMILES for cyclopropylmethyl 2-amino-4-hydroxybutanoate is NC(CCO)C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-amino-4-hydroxybutanoate?
The InChIKey is NQZMKHQEEMOGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c9-7(3-4-10)8(11)12-5-6-1-2-6/h6-7,10H,1-5,9H2.
What are the key properties of cyclopropylmethyl 2-amino-4-hydroxybutanoate?
cyclopropylmethyl 2-amino-4-hydroxybutanoate has a molecular weight of 173.21 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-amino-4-hydroxybutanoate is sourced from PubChem (CID 61243530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).